%chk=000096791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096791

0 1
 Br   3.282800       2.412900      0.7855000    
 O  -0.1947000     -0.2552000     -1.3200000E-02
 N   0.5836000       1.789200     -0.4815000    
 N  -0.7970000       1.854000     -0.4527000    
 C    2.168000     -0.1029000     -0.1179000    
 C   -2.535100      0.1178000     -2.1700000E-02
 C   0.8904000      0.5402000     -0.2194000    
 C   -1.200000      0.6418000     -0.1771000    
 C    3.319700      0.5739000      0.3058000    
 C    2.260000      -1.458900     -0.4569000    
 C   -2.725400      -1.231300      0.2777000    
 C   -3.636200      0.9607000     -0.1720000    
 C    4.541400     -9.4099998E-02  0.3887000    
 C    3.481700      -2.126900     -0.3741000    
 C   -4.016600      -1.737300      0.4267000    
 C   -4.927500      0.4548000     -2.2900000E-02
 C    4.622500      -1.444600      4.8599999E-02
 C   -5.117700     -0.8942000      0.2764000    
 H    1.392900      -2.019700     -0.7993000    
 H   -1.892600      -1.918800      0.4020000    
 H   -3.511600       2.015400     -0.4055000    
 H    5.441800      0.4197000      0.7158000    
 H    3.545700      -3.177800     -0.6407000    
 H   -4.165300      -2.787600      0.6597000    
 H   -5.785000       1.111000     -0.1399000    
 H    5.573700      -1.964800      0.1125000    
 H   -6.123100      -1.288200      0.3924000    


%chk=000096791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096791

0 1
Br 3.634071 2.600540 -0.013548
O -0.174060 -0.309083 0.010931
N 0.567898 1.851026 0.000860
N -0.866058 1.862247 0.010014
C 2.276951 -0.057900 -0.005664
C -2.631721 0.061794 0.025857
C 0.955977 0.568263 0.001569
C -1.270655 0.583808 0.015738
C 3.515095 0.651734 -0.012852
C 2.334843 -1.486500 -0.005620
C -2.884644 -1.336681 0.032797
C -3.719878 0.978568 0.028847
C 4.745362 -0.041386 -0.019771
C 3.558462 -2.176194 -0.012486
C -4.212701 -1.810097 0.042583
C -5.042509 0.495741 0.038647
C 4.772452 -1.451828 -0.019659
C -5.294224 -0.897973 0.045526
H 1.392215 -2.040118 -0.000086
H -2.044795 -2.038611 0.030554
H -3.508160 2.052437 0.023458
H 5.679183 0.527772 -0.025211
H 3.566432 -3.270658 -0.012329
H -4.404974 -2.888275 0.047933
H -5.878225 1.203464 0.040915
H 5.734868 -1.973725 -0.025129
H -6.324803 -1.269264 0.053127


